UXEIXOIFTIOONC-UHFFFAOYSA-N

Name: UXEIXOIFTIOONC-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₆FNO₂ — CID 67289171

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate

SMILESCOC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1

InChIInChI=1S/C18H16FNO2/c1-20-11-14(9-12-3-6-15(19)7-4-12)16-8-5-13(10-17(16)20)18(21)22-2/h3-8,10-11H,9H2,1-2H3

InChIKeyUXEIXOIFTIOONC-UHFFFAOYSA-N

MW297.33 g/mol

LogP3.69

Rot. Bonds3

About UXEIXOIFTIOONC-UHFFFAOYSA-N

UXEIXOIFTIOONC-UHFFFAOYSA-N (PubChem CID 67289171) has the molecular formula C₁₈H₁₆FNO₂ and a molecular weight of 297.33 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate.

Molecular Properties

Compound Name	UXEIXOIFTIOONC-UHFFFAOYSA-N
PubChem CID	67289171
Molecular Formula	C₁₈H₁₆FNO₂
Molecular Weight	297.33 g/mol
Exact Mass	297.12
IUPAC Name	methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate
SMILES	COC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1
InChI	InChI=1S/C18H16FNO2/c1-20-11-14(9-12-3-6-15(19)7-4-12)16-8-5-13(10-17(16)20)18(21)22-2/h3-8,10-11H,9H2,1-2H3
InChIKey	UXEIXOIFTIOONC-UHFFFAOYSA-N
XLogP	3.69
TPSA	31.23 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.33
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of UXEIXOIFTIOONC-UHFFFAOYSA-N?

The IUPAC name of UXEIXOIFTIOONC-UHFFFAOYSA-N (CID 67289171) is methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate.

What is the SMILES notation for UXEIXOIFTIOONC-UHFFFAOYSA-N?

The canonical SMILES for UXEIXOIFTIOONC-UHFFFAOYSA-N is COC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1.

What is the InChIKey of UXEIXOIFTIOONC-UHFFFAOYSA-N?

The InChIKey is UXEIXOIFTIOONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-20-11-14(9-12-3-6-15(19)7-4-12)16-8-5-13(10-17(16)20)18(21)22-2/h3-8,10-11H,9H2,1-2H3.

What are the key properties of UXEIXOIFTIOONC-UHFFFAOYSA-N?

UXEIXOIFTIOONC-UHFFFAOYSA-N has a molecular weight of 297.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for UXEIXOIFTIOONC-UHFFFAOYSA-N is sourced from PubChem (CID 67289171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 67289171 — identifiers, structure, computed properties (public domain)

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